Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2847 0.3465 -0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6102 0.0364 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2382 0.3480 0.7065 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 -0.1871 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3196 -1.0231 -0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1131 0.1533 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9598 -0.4081 -0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7787 1.3010 1.0458 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6599 -0.6106 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1767 0.9939 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6088 0.7878 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -1.0335 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.6406 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6060 -1.1402 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0035 -0.2048 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers